3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride

C32H35BCl3FN8O2 — CID 159869199

IUPAC3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride
SMILESCC1(C)OB(c2cnn3ccccc23)OC1(C)C.CCc1cnc(Cl)nc1-c1cnn2ccccc12.CCc1cnc(Cl)nc1Cl.F
InChIInChI=1S/C13H17BN2O2.C13H11ClN4.C6H6Cl2N2.FH/c1-12(2)13(3,4)18-14(17-12)10-9-15-16-8-6-5-7-11(10)16;1-2-9-7-15-13(14)17-12(9)10-8-16-18-6-4-3-5-11(10)18;1-2-4-3-9-6(8)10-5(4)7;/h5-9H,1-4H3;3-8H,2H2,1H3;3H,2H2,1H3;1H
InChIKeyNSCUODHWAHXMLM-UHFFFAOYSA-N
MW699.86 g/mol
LogP7.14
Rot. Bonds4

About 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride

3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride (PubChem CID 159869199) has the molecular formula C32H35BCl3FN8O2 and a molecular weight of 699.86 g/mol. Its IUPAC name is 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride.

Molecular Properties

Compound Name3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride
PubChem CID159869199
Molecular FormulaC32H35BCl3FN8O2
Molecular Weight699.86 g/mol
Exact Mass698.20
IUPAC Name3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride
SMILESCC1(C)OB(c2cnn3ccccc23)OC1(C)C.CCc1cnc(Cl)nc1-c1cnn2ccccc12.CCc1cnc(Cl)nc1Cl.F
InChIInChI=1S/C13H17BN2O2.C13H11ClN4.C6H6Cl2N2.FH/c1-12(2)13(3,4)18-14(17-12)10-9-15-16-8-6-5-7-11(10)16;1-2-9-7-15-13(14)17-12(9)10-8-16-18-6-4-3-5-11(10)18;1-2-4-3-9-6(8)10-5(4)7;/h5-9H,1-4H3;3-8H,2H2,1H3;3H,2H2,1H3;1H
InChIKeyNSCUODHWAHXMLM-UHFFFAOYSA-N
XLogP7.14
TPSA104.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride with MolForge

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Related Compounds

US10023570, Example 741
CID 124200196
US10023570, Example 743
CID 124200505
3-chloro-4-[4-[5-[(1R)-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine
CID 142446467
2-Bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 158030714
4,6-Dichloropyrimidine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole
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6-(6-Chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 159172760
6-(2-Chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
CID 159266282
2-chloro-5-(trifluoromethyl)pyridine;4-isocyano-N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline;4-isocyano-N-methyl-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline;methane
CID 159795205
2-Chloro-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 161804912
4-[1-[5-[1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 174002013
6-(1-Methylpyrazol-4-yl)-3-[4-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazolo[1,5-a]pyridine
CID 168264051
6-(1-Methylpyrazol-4-yl)-3-[4-[5-(pyridin-3-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]pyrazolo[1,5-a]pyridine
CID 168264253

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride?
The IUPAC name of 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride (CID 159869199) is 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride.
What is the SMILES notation for 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride?
The canonical SMILES for 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride is CC1(C)OB(c2cnn3ccccc23)OC1(C)C.CCc1cnc(Cl)nc1-c1cnn2ccccc12.CCc1cnc(Cl)nc1Cl.F.
What is the InChIKey of 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride?
The InChIKey is NSCUODHWAHXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BN2O2.C13H11ClN4.C6H6Cl2N2.FH/c1-12(2)13(3,4)18-14(17-12)10-9-15-16-8-6-5-7-11(10)16;1-2-9-7-15-13(14)17-12(9)10-8-16-18-6-4-3-5-11(10)18;1-2-4-3-9-6(8)10-5(4)7;/h5-9H,1-4H3;3-8H,2H2,1H3;3H,2H2,1H3;1H.
What are the key properties of 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride?
3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride has a molecular weight of 699.86 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-ethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine;2,4-dichloro-5-ethylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine;hydrofluoride is sourced from PubChem (CID 159869199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).